SCHEMBL3466496

SCHEMBL3466496

CC(C(=O)O)N(C)c1ccc(Cc2ccc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.45
PDE4D Q08499 2/20 0.44
SLC6A9 P48067 2/20 0.40
F11 P03951 2/20 0.40
PDE4A P27815 1/20 0.38
CTSA P10619 3/20 0.36
CD274 Q9NZQ7 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYMP P19971 1/20 0.34
RORC P51449 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3466491 1.00 PDE4B (0.45) PDE4BPDE4DSLC6A9F11PDE4A
SCHEMBL13865477 0.90 PDE4D (0.55) PDE4BPDE4DSLC6A9CTSA
SCHEMBL3465831 0.88 SLC6A9 (0.46) PDE4BPDE4DSLC6A9F11PDE4A
SCHEMBL4316681 0.85 PDE4D (0.47) PDE4BPDE4DSLC6A9F11PDE4A
SCHEMBL8027459 0.84 PDE4D (0.38) PDE4BPDE4DSLC6A9CD274
SCHEMBL15195923 0.80 PDE4B (0.53) PDE4BPDE4DF11CTSA
SCHEMBL3466242 0.80 PDE4D (0.51) PDE4BPDE4DSLC6A9F11CTSA
SCHEMBL8067086 0.80 PDE4D (0.47) PDE4BPDE4DSLC6A9F11PDE4A
Hydrochloric Acid SCHEMBL4333021 0.79 PDE4D (0.47) PDE4BPDE4DSLC6A9F11PDE4A
SCHEMBL3466495 0.79 PDE4B (0.54) PDE4BPDE4DF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 7/4885SLC6A9 4745/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 7/4885SLC6A9 4745/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.